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Title: Materials Data on RbLi(H2N)2 by Materials Project

Abstract

RbLi(NH2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six H1+ atoms. Both Rb–N bond lengths are 2.96 Å. There are a spread of Rb–H bond distances ranging from 2.87–3.05 Å. Li1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.07–2.21 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Rb1+, one Li1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to four equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3-more » atom.« less

Publication Date:
Other Number(s):
mp-510073
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbLi(H2N)2; H-Li-N-Rb
OSTI Identifier:
1262826
DOI:
https://doi.org/10.17188/1262826

Citation Formats

The Materials Project. Materials Data on RbLi(H2N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262826.
The Materials Project. Materials Data on RbLi(H2N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1262826
The Materials Project. 2020. "Materials Data on RbLi(H2N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1262826. https://www.osti.gov/servlets/purl/1262826. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1262826,
title = {Materials Data on RbLi(H2N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLi(NH2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six H1+ atoms. Both Rb–N bond lengths are 2.96 Å. There are a spread of Rb–H bond distances ranging from 2.87–3.05 Å. Li1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.07–2.21 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Rb1+, one Li1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to four equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.},
doi = {10.17188/1262826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}